SCHEMBL71731

SCHEMBL71731

NCC(=O)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
ERCC5 P28715 1/20 0.61
FEN1 P39748 1/20 0.61
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRIN2B Q13224 1/20 0.46
IDO1 P14902 2/20 0.46
CXCR3 P49682 1/20 0.46
PNMT P11086 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
P2RX7 Q99572 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2222643 0.98 PARP1 (0.60) PARP1ERCC5FEN1MEN1KMT2A
Hydrochloric Acid SCHEMBL30113107 0.98 PARP1 (0.60) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL10792354 0.86 PARP1 (0.60) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL29962144 0.83 ERCC5 (0.76) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL11791699 0.83 ERCC5 (0.76) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL10792681 0.82 PARP1 (0.55) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL97933 0.82 ERCC5 (0.62) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL4565219 0.82 ERCC5 (0.62) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL1712221 0.82 ERCC5 (0.62) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL29621003 0.82 ERCC5 (0.62) PARP1ERCC5FEN1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
CN-118302422-A Substituted N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2024-07-05 CN disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 US disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-113234015-B 3-acyl dihydroquinoline derivative and preparation method and application thereof 广东医科大学 2022-02-18 CN disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-3987047-A ANORETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-19 US disclosed
US-3950526-A Quinazoline derivatives in pharmaceutical compositions for treating pain and inflammation SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 PARP1 3200/4885ERCC5 3836/4885FEN1 3771/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 PARP1 3200/4885ERCC5 3836/4885FEN1 3771/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT PARP1 1380/4885ERCC5 4788/4885FEN1 3860/4885
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PARP1 4729/4885ERCC5 3962/4885FEN1 3731/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT PARP1 1380/4885ERCC5 4788/4885FEN1 3860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.